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Home Other Building Blocks 589-59-3
589-59-3,MFCD00048349
Catalog No.:AA003R00

589-59-3 | Isobutyl isovalerate

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Purity
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25g
98%
in stock  
$11.00   $8.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003R00
Chemical Name:
Isobutyl isovalerate
CAS Number:
589-59-3
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD00048349
SMILES:
CC(COC(=O)CC(C)C)C
NSC Number:
6993
FEMA Number:
3369
Properties
Properties
 
BP:
168.5°C  
Form:
Liquid  
MP:
-92.8℃ (estimate)  

Computed Properties
 
Complexity:
117  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Emmons;Lucas[JournaloftheAmericanChemicalSociety,1955,vol.77,p.2287]

[2]Suzuki,M.;Takada,H.;Noyori,R.[JournalofOrganicChemistry,1982,vol.47,#5,p.902-904]

[3]Jenner,Gérard[TetrahedronLetters,2001,vol.42,#51,p.8969-8971]

[1]Berthelot;Gaudechon[ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1911,vol.153,p.385]

Literature

Title: Simultaneous determination of fatty, dicarboxylic and amino acids based on derivatization with isobutyl chloroformate followed by gas chromatography-positive ion chemical ionization mass spectrometry.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20040205

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SDS
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